Information card for entry 7716269

Structure parameters

• Formula: C15.01 H13.13 Ca N0.99 O5
• Calculated formula: C15.005 H13.139 Ca N0.98 O5
• Title of publication: Construction of a series of pH stable Ca-based MOFs, their CO₂ adsorption and catalytic activity.
• Authors of publication: Bhattacharjee, Sudip; Chakraborty, Tonmoy; Banerjee, Soumadip; Das, Abhijit K.; Bhaumik, Asim
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 26
• Pages of publication: 11120 - 11132
• a: 6.6525 ± 0.0013 Å
• b: 14.409 ± 0.003 Å
• c: 14.878 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1426.1 ± 0.6 ų
• Cell temperature: 144.95 K
• Ambient diffraction temperature: 144.95 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0395
• Residual factor for significantly intense reflections: 0.0313
• Weighted residual factors for significantly intense reflections: 0.0687
• Weighted residual factors for all reflections included in the refinement: 0.0735
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No